Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 10/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15313616 | 0.78 | KCNH2 (0.70) | KCNH2CYP3A4MAPTGAATP53 | |
| SCHEMBL12781793 | 0.72 | KCNH2 (0.79) | KCNH2CYP3A4MAPTGAATP53 | |
| SCHEMBL998967 | 0.71 | KCNH2 (0.93) | KCNH2CYP3A4MAPTGAATP53 | |
| SCHEMBL1051379 | 0.70 | KCNH2 (0.67) | KCNH2CYP3A4TP53 | |
| SCHEMBL1051946 | 0.70 | KCNH2 (0.55) | KCNH2CYP3A4MAPTGAATP53 | |
| SCHEMBL998969 | 0.69 | KCNH2 (0.60) | KCNH2CYP3A4MAPTGAATP53 | |
| SCHEMBL1050138 | 0.68 | KCNH2 (0.93) | KCNH2CYP3A4MAPTGAATP53 | |
| SCHEMBL15313628 | 0.68 | KCNH2 (0.93) | KCNH2CYP3A4MAPTGAATP53 | |
| SCHEMBL12845804 | 0.67 | KCNH2 (0.67) | KCNH2CYP3A4MAPTGAATP53 | |
| SCHEMBL2068986 | 0.67 | KCNH2 (1.00) | KCNH2CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963454-B2 | Compounds and compositions for the treatment of parasitic disease | NOVARTIS AG (CH) | 2018-05-08 | — | — | US | disclosed |